4'-(2-chlorophenyl)-10'-methoxy-6,6-dimethyl-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.02,6]tridecane]-1'(9'),4',10',12'-tetraene

• ChemBase编号: 191644
• 分子式: C23H25ClN2O3
• 平均质量: 412.9092
• 单一同位素质量: 412.15537035
• SMILES: N12C3(Oc4c(C2CC(=N1)c1c(Cl)cccc1)cccc4OC)CC(OCC3)(C)C
• Canonical SMILES: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccccc1Cl
• InChI: InChI=1S/C23H25ClN2O3/c1-22(2)14-23(11-12-28-22)26-19(16-8-6-10-20(27-3)21(16)29-23)13-18(25-26)15-7-4-5-9-17(15)24/h4-10,19H,11-14H2,1-3H3
• InChIKey: AJCTUOVVUOISQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4'-(2-chlorophenyl)-10'-methoxy-6,6-dimethyl-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.0^2,^6]tridecane]-1'(9'),4',10',12'-tetraene
• IUPAC传统名: 4'-(2-chlorophenyl)-10'-methoxy-6,6-dimethyl-8'-oxa-5',6'-diazaspiro[oxane-4,7'-tricyclo[7.4.0.0^2,^6]tridecane]-1'(9'),4',10',12'-tetraene

登记号

• PubChem SID: 164247554
• PubChem CID: 3831302

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.831815
• LogD (pH = 7.4): 4.832048
• Log P: 4.832051
• 摩尔折射率: 111.6769 cm^3
• 极化性: 44.053307 Å^3
• 极化表面积: 43.29 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds